(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene

C12F24 — CID 166521316

IUPAC(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
SMILESF/C(=C(\C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24/c13-2(5(17,18)19)1(4(14,15)16)3(10(28,29)30,7(22,23)11(31,32)33)6(20,21)8(24,25)9(26,27)12(34,35)36/b2-1-
InChIKeyZNJIWZOXLBRNSM-UPHRSURJSA-N
MW600.08 g/mol
LogP8.55
Rot. Bonds5

About (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene

(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene (PubChem CID 166521316) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
PubChem CID166521316
Molecular FormulaC12F24
Molecular Weight600.08 g/mol
Exact Mass599.96
IUPAC Name(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
SMILESF/C(=C(\C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24/c13-2(5(17,18)19)1(4(14,15)16)3(10(28,29)30,7(22,23)11(31,32)33)6(20,21)8(24,25)9(26,27)12(34,35)36/b2-1-
InChIKeyZNJIWZOXLBRNSM-UPHRSURJSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene?
The IUPAC name of (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene (CID 166521316) is (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene.
What is the SMILES notation for (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene?
The canonical SMILES for (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene is F/C(=C(\C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene?
The InChIKey is ZNJIWZOXLBRNSM-UPHRSURJSA-N. The full InChI is InChI=1S/C12F24/c13-2(5(17,18)19)1(4(14,15)16)3(10(28,29)30,7(22,23)11(31,32)33)6(20,21)8(24,25)9(26,27)12(34,35)36/b2-1-.
What are the key properties of (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene?
(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene has a molecular weight of 600.08 g/mol, XLogP of 8.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene is sourced from PubChem (CID 166521316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).